(4R)-4-amino-4-(2-fluoro-5-iodophenyl)butan-1-ol;hydrochloride

C10H14ClFINO — CID 171216213

IUPAC(4R)-4-amino-4-(2-fluoro-5-iodophenyl)butan-1-ol;hydrochloride
SMILESCl.N[C@H](CCCO)c1cc(I)ccc1F
InChIInChI=1S/C10H13FINO.ClH/c11-9-4-3-7(12)6-8(9)10(13)2-1-5-14;/h3-4,6,10,14H,1-2,5,13H2;1H/t10-;/m1./s1
InChIKeyNRMVCAQYDWSTNY-HNCPQSOCSA-N
MW345.58 g/mol
LogP2.62
Rot. Bonds4

About (4R)-4-amino-4-(2-fluoro-5-iodophenyl)butan-1-ol;hydrochloride

(4R)-4-amino-4-(2-fluoro-5-iodophenyl)butan-1-ol;hydrochloride (PubChem CID 171216213) has the molecular formula C10H14ClFINO and a molecular weight of 345.58 g/mol. Its IUPAC name is (4R)-4-amino-4-(2-fluoro-5-iodophenyl)butan-1-ol;hydrochloride.

Molecular Properties

Compound Name(4R)-4-amino-4-(2-fluoro-5-iodophenyl)butan-1-ol;hydrochloride
PubChem CID171216213
Molecular FormulaC10H14ClFINO
Molecular Weight345.58 g/mol
Exact Mass344.98
IUPAC Name(4R)-4-amino-4-(2-fluoro-5-iodophenyl)butan-1-ol;hydrochloride
SMILESCl.N[C@H](CCCO)c1cc(I)ccc1F
InChIInChI=1S/C10H13FINO.ClH/c11-9-4-3-7(12)6-8(9)10(13)2-1-5-14;/h3-4,6,10,14H,1-2,5,13H2;1H/t10-;/m1./s1
InChIKeyNRMVCAQYDWSTNY-HNCPQSOCSA-N
XLogP2.62
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.58
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3R)-3-amino-3-(2-fluoro-5-iodophenyl)propan-1-ol;hydrochloride
CID 171216211
(1S)-1-(2-fluoro-5-iodophenyl)butane-1,4-diamine
CID 171235808
(1R)-1-(2-fluoro-5-iodophenyl)butane-1,4-diamine
CID 171216174
(1R)-1-(2-fluoro-5-iodophenyl)propane-1,3-diamine
CID 131016633
(1R)-1-(2-fluoro-5-iodophenyl)pentan-1-amine;hydrochloride
CID 171216184
(1S)-1-(2-fluoro-5-iodophenyl)pentane-1,5-diamine
CID 171235810
(1S)-1-(2-fluoro-5-iodophenyl)hexan-1-amine;hydrochloride
CID 171235820
4-amino-4-(2,5-difluorophenyl)butan-1-ol
CID 116861415
(1R)-1-(2-fluoro-5-iodophenyl)pent-4-en-1-amine;hydrochloride
CID 171216202
(4R)-4-amino-4-(2-fluoro-5-methoxyphenyl)butan-1-ol;hydrochloride
CID 171209672
(1S)-1-(2-fluoro-5-iodophenyl)ethanamine
CID 131032773
(3R)-3-amino-2,2-difluoro-3-(2-fluoro-5-iodophenyl)propan-1-ol;hydrochloride
CID 171245024

Frequently Asked Questions

What is the IUPAC name of (4R)-4-amino-4-(2-fluoro-5-iodophenyl)butan-1-ol;hydrochloride?
The IUPAC name of (4R)-4-amino-4-(2-fluoro-5-iodophenyl)butan-1-ol;hydrochloride (CID 171216213) is (4R)-4-amino-4-(2-fluoro-5-iodophenyl)butan-1-ol;hydrochloride.
What is the SMILES notation for (4R)-4-amino-4-(2-fluoro-5-iodophenyl)butan-1-ol;hydrochloride?
The canonical SMILES for (4R)-4-amino-4-(2-fluoro-5-iodophenyl)butan-1-ol;hydrochloride is Cl.N[C@H](CCCO)c1cc(I)ccc1F.
What is the InChIKey of (4R)-4-amino-4-(2-fluoro-5-iodophenyl)butan-1-ol;hydrochloride?
The InChIKey is NRMVCAQYDWSTNY-HNCPQSOCSA-N. The full InChI is InChI=1S/C10H13FINO.ClH/c11-9-4-3-7(12)6-8(9)10(13)2-1-5-14;/h3-4,6,10,14H,1-2,5,13H2;1H/t10-;/m1./s1.
What are the key properties of (4R)-4-amino-4-(2-fluoro-5-iodophenyl)butan-1-ol;hydrochloride?
(4R)-4-amino-4-(2-fluoro-5-iodophenyl)butan-1-ol;hydrochloride has a molecular weight of 345.58 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-amino-4-(2-fluoro-5-iodophenyl)butan-1-ol;hydrochloride is sourced from PubChem (CID 171216213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).