(4R)-2-fluoro-6-methylheptane-1,4-diamine

C8H19FN2 — CID 176716877

IUPAC(4R)-2-fluoro-6-methylheptane-1,4-diamine
SMILESCC(C)C[C@@H](N)CC(F)CN
InChIInChI=1S/C8H19FN2/c1-6(2)3-8(11)4-7(9)5-10/h6-8H,3-5,10-11H2,1-2H3/t7?,8-/m1/s1
InChIKeyLORQRRHUILTWTH-BRFYHDHCSA-N
MW162.25 g/mol
LogP1.05
Rot. Bonds5

About (4R)-2-fluoro-6-methylheptane-1,4-diamine

(4R)-2-fluoro-6-methylheptane-1,4-diamine (PubChem CID 176716877) has the molecular formula C8H19FN2 and a molecular weight of 162.25 g/mol. Its IUPAC name is (4R)-2-fluoro-6-methylheptane-1,4-diamine.

Molecular Properties

Compound Name(4R)-2-fluoro-6-methylheptane-1,4-diamine
PubChem CID176716877
Molecular FormulaC8H19FN2
Molecular Weight162.25 g/mol
Exact Mass162.15
IUPAC Name(4R)-2-fluoro-6-methylheptane-1,4-diamine
SMILESCC(C)C[C@@H](N)CC(F)CN
InChIInChI=1S/C8H19FN2/c1-6(2)3-8(11)4-7(9)5-10/h6-8H,3-5,10-11H2,1-2H3/t7?,8-/m1/s1
InChIKeyLORQRRHUILTWTH-BRFYHDHCSA-N
XLogP1.05
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.25
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,4R)-2-fluoro-6-methylheptane-1,4-diamine
CID 176716912
(2S)-2-fluoro-4-methylpentan-1-amine
CID 129375468
(3R)-5-amino-2,7-dimethyloctan-3-ol
CID 167246678
(2S,4S)-2,5-diamino-4-(18F)fluoropentanoic acid
CID 46207589
2-(1-fluoroethyl)-4-methylpentan-1-amine
CID 105429103
4-ethyl-2-fluorohexan-1-amine
CID 112562625
1-N-(2,2-difluoroethyl)-4-methylpentane-1,2-diamine
CID 115407411
(2S)-1,1-difluoro-4-methylpentan-2-amine
CID 130038441
3-fluoro-5-methylhexan-2-amine
CID 105427778
(4S,6R)-4,6-diamino-2,8-dimethylnonan-5-ol
CID 10512329
2-fluorobutan-1-amine;hydrochloride
CID 71755419
methyl 4-amino-6-methylheptanoate;hydrochloride
CID 87306139

Frequently Asked Questions

What is the IUPAC name of (4R)-2-fluoro-6-methylheptane-1,4-diamine?
The IUPAC name of (4R)-2-fluoro-6-methylheptane-1,4-diamine (CID 176716877) is (4R)-2-fluoro-6-methylheptane-1,4-diamine.
What is the SMILES notation for (4R)-2-fluoro-6-methylheptane-1,4-diamine?
The canonical SMILES for (4R)-2-fluoro-6-methylheptane-1,4-diamine is CC(C)C[C@@H](N)CC(F)CN.
What is the InChIKey of (4R)-2-fluoro-6-methylheptane-1,4-diamine?
The InChIKey is LORQRRHUILTWTH-BRFYHDHCSA-N. The full InChI is InChI=1S/C8H19FN2/c1-6(2)3-8(11)4-7(9)5-10/h6-8H,3-5,10-11H2,1-2H3/t7?,8-/m1/s1.
What are the key properties of (4R)-2-fluoro-6-methylheptane-1,4-diamine?
(4R)-2-fluoro-6-methylheptane-1,4-diamine has a molecular weight of 162.25 g/mol, XLogP of 1.05, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-fluoro-6-methylheptane-1,4-diamine is sourced from PubChem (CID 176716877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).