(6R)-1,1,1-trifluoro-3,6,7-trimethyloctane

C11H21F3 — CID 126748355

IUPAC(6R)-1,1,1-trifluoro-3,6,7-trimethyloctane
SMILESCC(CC[C@@H](C)C(C)C)CC(F)(F)F
InChIInChI=1S/C11H21F3/c1-8(2)10(4)6-5-9(3)7-11(12,13)14/h8-10H,5-7H2,1-4H3/t9?,10-/m1/s1
InChIKeyGARHGMJZVSXSDW-QVDQXJPCSA-N
MW210.28 g/mol
LogP4.65
Rot. Bonds5

About (6R)-1,1,1-trifluoro-3,6,7-trimethyloctane

(6R)-1,1,1-trifluoro-3,6,7-trimethyloctane (PubChem CID 126748355) has the molecular formula C11H21F3 and a molecular weight of 210.28 g/mol. Its IUPAC name is (6R)-1,1,1-trifluoro-3,6,7-trimethyloctane.

Molecular Properties

Compound Name(6R)-1,1,1-trifluoro-3,6,7-trimethyloctane
PubChem CID126748355
Molecular FormulaC11H21F3
Molecular Weight210.28 g/mol
Exact Mass210.16
IUPAC Name(6R)-1,1,1-trifluoro-3,6,7-trimethyloctane
SMILESCC(CC[C@@H](C)C(C)C)CC(F)(F)F
InChIInChI=1S/C11H21F3/c1-8(2)10(4)6-5-9(3)7-11(12,13)14/h8-10H,5-7H2,1-4H3/t9?,10-/m1/s1
InChIKeyGARHGMJZVSXSDW-QVDQXJPCSA-N
XLogP4.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,1,1,7,7,7-hexafluoro-3,5-dimethylheptane
CID 155426955
1,1,1-trifluoro-3-methylpentane
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1,1,1-trifluoro-6,7-dimethyloctane
CID 162600398
1,1,1-trichloro-6,6,6-trifluoro-3-methylhexane
CID 174826458
1,1-difluoro-4,5-dimethylhexane
CID 137419857
3,6,7-trimethyloctanenitrile
CID 58029314
2,3,6-trimethyl-8-(4,7,8-trimethylnonan-2-yloxy)nonane
CID 174626284
(3R)-1,1,1-trifluoro-4,4-dimethyl-3-propan-2-ylpentane
CID 146228126
(3S,7R)-2,3,7,8-tetramethylnonane
CID 153439349
(3R)-5,5-difluoro-2,3-dimethylheptane
CID 118133528
ethane;1,1,1,7,7,7-hexafluoro-4-methylheptane
CID 169212435
(3S)-1,1,1-trifluoro-3-iodobutane
CID 95036326

Frequently Asked Questions

What is the IUPAC name of (6R)-1,1,1-trifluoro-3,6,7-trimethyloctane?
The IUPAC name of (6R)-1,1,1-trifluoro-3,6,7-trimethyloctane (CID 126748355) is (6R)-1,1,1-trifluoro-3,6,7-trimethyloctane.
What is the SMILES notation for (6R)-1,1,1-trifluoro-3,6,7-trimethyloctane?
The canonical SMILES for (6R)-1,1,1-trifluoro-3,6,7-trimethyloctane is CC(CC[C@@H](C)C(C)C)CC(F)(F)F.
What is the InChIKey of (6R)-1,1,1-trifluoro-3,6,7-trimethyloctane?
The InChIKey is GARHGMJZVSXSDW-QVDQXJPCSA-N. The full InChI is InChI=1S/C11H21F3/c1-8(2)10(4)6-5-9(3)7-11(12,13)14/h8-10H,5-7H2,1-4H3/t9?,10-/m1/s1.
What are the key properties of (6R)-1,1,1-trifluoro-3,6,7-trimethyloctane?
(6R)-1,1,1-trifluoro-3,6,7-trimethyloctane has a molecular weight of 210.28 g/mol, XLogP of 4.65, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-1,1,1-trifluoro-3,6,7-trimethyloctane is sourced from PubChem (CID 126748355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).