1-cyclohexyl-4,4-difluoro-5-propan-2-yloxypentan-2-amine

C14H27F2NO — CID 54123882

IUPAC1-cyclohexyl-4,4-difluoro-5-propan-2-yloxypentan-2-amine
SMILESCC(C)OCC(F)(F)CC(N)CC1CCCCC1
InChIInChI=1S/C14H27F2NO/c1-11(2)18-10-14(15,16)9-13(17)8-12-6-4-3-5-7-12/h11-13H,3-10,17H2,1-2H3
InChIKeyNPPQPJASYOCXKD-UHFFFAOYSA-N
MW263.37 g/mol
LogP3.73
Rot. Bonds7

About 1-cyclohexyl-4,4-difluoro-5-propan-2-yloxypentan-2-amine

1-cyclohexyl-4,4-difluoro-5-propan-2-yloxypentan-2-amine (PubChem CID 54123882) has the molecular formula C14H27F2NO and a molecular weight of 263.37 g/mol. Its IUPAC name is 1-cyclohexyl-4,4-difluoro-5-propan-2-yloxypentan-2-amine.

Molecular Properties

Compound Name1-cyclohexyl-4,4-difluoro-5-propan-2-yloxypentan-2-amine
PubChem CID54123882
Molecular FormulaC14H27F2NO
Molecular Weight263.37 g/mol
Exact Mass263.21
IUPAC Name1-cyclohexyl-4,4-difluoro-5-propan-2-yloxypentan-2-amine
SMILESCC(C)OCC(F)(F)CC(N)CC1CCCCC1
InChIInChI=1S/C14H27F2NO/c1-11(2)18-10-14(15,16)9-13(17)8-12-6-4-3-5-7-12/h11-13H,3-10,17H2,1-2H3
InChIKeyNPPQPJASYOCXKD-UHFFFAOYSA-N
XLogP3.73
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(Pentan-3-yl)oxan-4-amine
CID 64106641
2-(4,4-Difluorocyclohexyl)-2-ethoxyethan-1-amine hydrochloride
CID 155821550
2(S)-Amino-1-cyclohexyl-4,4-difluoro-3(R),5(R)-dihydroxy-6-methylheptane
CID 14629908
(2S,3R,5S)-2-amino-1-cyclohexyl-4,4-difluoro-6-methylheptane-3,5-diol
CID 53976085
(2S,4R,5S)-5-amino-6-cyclohexyl-3,3-difluorohexane-2,4-diol
CID 54487018
(3R,4S)-4-amino-5-cyclohexyl-2,2-difluoro-1-propan-2-yloxypentan-3-ol
CID 57106503
4-(2,3-Difluoro-4-methoxycyclohexyl)cyclohexan-1-amine
CID 68198507
3-Amino-1,1,1-trifluoro-3-(4-methylcyclohexyl)propan-2-ol
CID 69826100
(2R,4R,5S)-5-amino-6-cyclohexyl-3,3-difluorohexane-2,4-diol
CID 70091746
6-[4-(Difluoromethyl)cyclohexyl]oxan-3-amine
CID 70843048
4-Ethoxy-4-(trifluoromethyl)cyclohexan-1-amine
CID 97179628
4-Hexoxy-3-(trifluoromethyl)cyclohexan-1-amine
CID 123640175

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4,4-difluoro-5-propan-2-yloxypentan-2-amine?
The IUPAC name of 1-cyclohexyl-4,4-difluoro-5-propan-2-yloxypentan-2-amine (CID 54123882) is 1-cyclohexyl-4,4-difluoro-5-propan-2-yloxypentan-2-amine.
What is the SMILES notation for 1-cyclohexyl-4,4-difluoro-5-propan-2-yloxypentan-2-amine?
The canonical SMILES for 1-cyclohexyl-4,4-difluoro-5-propan-2-yloxypentan-2-amine is CC(C)OCC(F)(F)CC(N)CC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-4,4-difluoro-5-propan-2-yloxypentan-2-amine?
The InChIKey is NPPQPJASYOCXKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27F2NO/c1-11(2)18-10-14(15,16)9-13(17)8-12-6-4-3-5-7-12/h11-13H,3-10,17H2,1-2H3.
What are the key properties of 1-cyclohexyl-4,4-difluoro-5-propan-2-yloxypentan-2-amine?
1-cyclohexyl-4,4-difluoro-5-propan-2-yloxypentan-2-amine has a molecular weight of 263.37 g/mol, XLogP of 3.73, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4,4-difluoro-5-propan-2-yloxypentan-2-amine is sourced from PubChem (CID 54123882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).