(2S,3S)-3-(10,10-diphenyldecylamino)-1,1,1-trifluoro-2-methylbutan-2-ol

C27H38F3NO — CID 150410606

IUPAC(2S,3S)-3-(10,10-diphenyldecylamino)-1,1,1-trifluoro-2-methylbutan-2-ol
SMILESC[C@H](NCCCCCCCCCC(c1ccccc1)c1ccccc1)[C@](C)(O)C(F)(F)F
InChIInChI=1S/C27H38F3NO/c1-22(26(2,32)27(28,29)30)31-21-15-7-5-3-4-6-14-20-25(23-16-10-8-11-17-23)24-18-12-9-13-19-24/h8-13,16-19,22,25,31-32H,3-7,14-15,20-21H2,1-2H3/t22-,26-/m0/s1
InChIKeyHFRWNKXTHWCEMV-NVQXNPDNSA-N
MW449.60 g/mol
LogP7.23
Rot. Bonds14

About (2S,3S)-3-(10,10-diphenyldecylamino)-1,1,1-trifluoro-2-methylbutan-2-ol

(2S,3S)-3-(10,10-diphenyldecylamino)-1,1,1-trifluoro-2-methylbutan-2-ol (PubChem CID 150410606) has the molecular formula C27H38F3NO and a molecular weight of 449.60 g/mol. Its IUPAC name is (2S,3S)-3-(10,10-diphenyldecylamino)-1,1,1-trifluoro-2-methylbutan-2-ol.

Molecular Properties

Compound Name(2S,3S)-3-(10,10-diphenyldecylamino)-1,1,1-trifluoro-2-methylbutan-2-ol
PubChem CID150410606
Molecular FormulaC27H38F3NO
Molecular Weight449.60 g/mol
Exact Mass449.29
IUPAC Name(2S,3S)-3-(10,10-diphenyldecylamino)-1,1,1-trifluoro-2-methylbutan-2-ol
SMILESC[C@H](NCCCCCCCCCC(c1ccccc1)c1ccccc1)[C@](C)(O)C(F)(F)F
InChIInChI=1S/C27H38F3NO/c1-22(26(2,32)27(28,29)30)31-21-15-7-5-3-4-6-14-20-25(23-16-10-8-11-17-23)24-18-12-9-13-19-24/h8-13,16-19,22,25,31-32H,3-7,14-15,20-21H2,1-2H3/t22-,26-/m0/s1
InChIKeyHFRWNKXTHWCEMV-NVQXNPDNSA-N
XLogP7.23
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.60
LogP ≤ 57.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

7-methyl-N-(2,2,2-trifluoro-1-phenylethyl)octan-1-amine
CID 107814952
2-methyl-4-[[(1S)-1-phenylethyl]amino]butan-2-ol
CID 10889092
N,N'-bis[(1R)-1-phenylethyl]heptane-1,7-diamine
CID 101387383
12,12-diphenyldodecyl(trihydroxy)phosphanium
CID 66694525
4,4-diphenyl-N-(4-phenylbutan-2-yl)butan-1-amine
CID 10316304
(5,5-dimethyl-1-phenylheptyl)benzene
CID 57073199
N-pentyl-1-phenyldecan-1-amine
CID 10380274
ethane;N-methyl-4,4-diphenylbutan-1-amine
CID 142989405
3,3-diphenyl-N-(1-phenylethyl)propan-1-amine
CID 69294873
2-[(5-fluoro-5-phenylpentyl)amino]-3-methylbutanoic acid
CID 178087017
N-[(1R)-1-phenylethyl]heptan-1-amine
CID 14866487
N-(18-methylnonadecyl)aniline;hydrochloride
CID 173012868

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-(10,10-diphenyldecylamino)-1,1,1-trifluoro-2-methylbutan-2-ol?
The IUPAC name of (2S,3S)-3-(10,10-diphenyldecylamino)-1,1,1-trifluoro-2-methylbutan-2-ol (CID 150410606) is (2S,3S)-3-(10,10-diphenyldecylamino)-1,1,1-trifluoro-2-methylbutan-2-ol.
What is the SMILES notation for (2S,3S)-3-(10,10-diphenyldecylamino)-1,1,1-trifluoro-2-methylbutan-2-ol?
The canonical SMILES for (2S,3S)-3-(10,10-diphenyldecylamino)-1,1,1-trifluoro-2-methylbutan-2-ol is C[C@H](NCCCCCCCCCC(c1ccccc1)c1ccccc1)[C@](C)(O)C(F)(F)F.
What is the InChIKey of (2S,3S)-3-(10,10-diphenyldecylamino)-1,1,1-trifluoro-2-methylbutan-2-ol?
The InChIKey is HFRWNKXTHWCEMV-NVQXNPDNSA-N. The full InChI is InChI=1S/C27H38F3NO/c1-22(26(2,32)27(28,29)30)31-21-15-7-5-3-4-6-14-20-25(23-16-10-8-11-17-23)24-18-12-9-13-19-24/h8-13,16-19,22,25,31-32H,3-7,14-15,20-21H2,1-2H3/t22-,26-/m0/s1.
What are the key properties of (2S,3S)-3-(10,10-diphenyldecylamino)-1,1,1-trifluoro-2-methylbutan-2-ol?
(2S,3S)-3-(10,10-diphenyldecylamino)-1,1,1-trifluoro-2-methylbutan-2-ol has a molecular weight of 449.60 g/mol, XLogP of 7.23, 14 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-(10,10-diphenyldecylamino)-1,1,1-trifluoro-2-methylbutan-2-ol is sourced from PubChem (CID 150410606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).