(3R,6S)-3-fluoro-4,6-dimethyloctane

C10H21F — CID 134189007

IUPAC(3R,6S)-3-fluoro-4,6-dimethyloctane
SMILESCC[C@H](C)CC(C)[C@H](F)CC
InChIInChI=1S/C10H21F/c1-5-8(3)7-9(4)10(11)6-2/h8-10H,5-7H2,1-4H3/t8-,9?,10+/m0/s1
InChIKeyVKSLIEDHTBUMRT-DJBFQZMMSA-N
MW160.28 g/mol
LogP3.81
Rot. Bonds5

About (3R,6S)-3-fluoro-4,6-dimethyloctane

(3R,6S)-3-fluoro-4,6-dimethyloctane (PubChem CID 134189007) has the molecular formula C10H21F and a molecular weight of 160.28 g/mol. Its IUPAC name is (3R,6S)-3-fluoro-4,6-dimethyloctane.

Molecular Properties

Compound Name(3R,6S)-3-fluoro-4,6-dimethyloctane
PubChem CID134189007
Molecular FormulaC10H21F
Molecular Weight160.28 g/mol
Exact Mass160.16
IUPAC Name(3R,6S)-3-fluoro-4,6-dimethyloctane
SMILESCC[C@H](C)CC(C)[C@H](F)CC
InChIInChI=1S/C10H21F/c1-5-8(3)7-9(4)10(11)6-2/h8-10H,5-7H2,1-4H3/t8-,9?,10+/m0/s1
InChIKeyVKSLIEDHTBUMRT-DJBFQZMMSA-N
XLogP3.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.28
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(5R)-2,3,5-trimethylheptane
CID 59882960
5-ethyl-3,6,8-trimethyldecane
CID 173141656
3,4,5,6,8-pentamethyldecane
CID 123810037
2,3,5,6,8-pentamethyldecane
CID 123990465
3,5-dimethylheptane;ethane
CID 172617343
1-fluoro-2,4-dimethylhexane
CID 123953899
3-(difluoromethyl)-5-methylheptane
CID 139354696
3-fluoro-2-methylpentane
CID 23234145
(4S)-2,4-dimethylhexane
CID 22810193
methyl-tris(2-methylbutyl)phosphanium
CID 18415083
2,2,3,4,6-pentamethyloctane
CID 57491075
3-ethyl-2,2,4,6-tetramethyloctane
CID 57492379

Frequently Asked Questions

What is the IUPAC name of (3R,6S)-3-fluoro-4,6-dimethyloctane?
The IUPAC name of (3R,6S)-3-fluoro-4,6-dimethyloctane (CID 134189007) is (3R,6S)-3-fluoro-4,6-dimethyloctane.
What is the SMILES notation for (3R,6S)-3-fluoro-4,6-dimethyloctane?
The canonical SMILES for (3R,6S)-3-fluoro-4,6-dimethyloctane is CC[C@H](C)CC(C)[C@H](F)CC.
What is the InChIKey of (3R,6S)-3-fluoro-4,6-dimethyloctane?
The InChIKey is VKSLIEDHTBUMRT-DJBFQZMMSA-N. The full InChI is InChI=1S/C10H21F/c1-5-8(3)7-9(4)10(11)6-2/h8-10H,5-7H2,1-4H3/t8-,9?,10+/m0/s1.
What are the key properties of (3R,6S)-3-fluoro-4,6-dimethyloctane?
(3R,6S)-3-fluoro-4,6-dimethyloctane has a molecular weight of 160.28 g/mol, XLogP of 3.81, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,6S)-3-fluoro-4,6-dimethyloctane is sourced from PubChem (CID 134189007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).