1-fluoro-3,7-dimethyloctane

C10H21F — CID 12030550

IUPAC1-fluoro-3,7-dimethyloctane
SMILESCC(C)CCCC(C)CCF
InChIInChI=1S/C10H21F/c1-9(2)5-4-6-10(3)7-8-11/h9-10H,4-8H2,1-3H3
InChIKeySMQFLYUGZYPELO-UHFFFAOYSA-N
MW160.28 g/mol
LogP3.81
Rot. Bonds6

About 1-fluoro-3,7-dimethyloctane

1-fluoro-3,7-dimethyloctane (PubChem CID 12030550) has the molecular formula C10H21F and a molecular weight of 160.28 g/mol. Its IUPAC name is 1-fluoro-3,7-dimethyloctane.

Molecular Properties

Compound Name1-fluoro-3,7-dimethyloctane
PubChem CID12030550
Molecular FormulaC10H21F
Molecular Weight160.28 g/mol
Exact Mass160.16
IUPAC Name1-fluoro-3,7-dimethyloctane
SMILESCC(C)CCCC(C)CCF
InChIInChI=1S/C10H21F/c1-9(2)5-4-6-10(3)7-8-11/h9-10H,4-8H2,1-3H3
InChIKeySMQFLYUGZYPELO-UHFFFAOYSA-N
XLogP3.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
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

2-Methyldecane
CID 23415
2-Methyloctane
CID 18591
2-Methylundecane
CID 23459
Farnesane
CID 19773
4-Methyldecane
CID 17835
3-Methyldecane
CID 92239
2-Methylnonane
CID 13379
Heptane, 5-ethyl-2-methyl-
CID 26056
3,6-Dimethyloctane
CID 85927
2,6-Dimethyloctane
CID 16319
2,4-Dimethylheptane
CID 16656
2,5-Dimethylheptane
CID 16662

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-3,7-dimethyloctane?
The IUPAC name of 1-fluoro-3,7-dimethyloctane (CID 12030550) is 1-fluoro-3,7-dimethyloctane.
What is the SMILES notation for 1-fluoro-3,7-dimethyloctane?
The canonical SMILES for 1-fluoro-3,7-dimethyloctane is CC(C)CCCC(C)CCF.
What is the InChIKey of 1-fluoro-3,7-dimethyloctane?
The InChIKey is SMQFLYUGZYPELO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21F/c1-9(2)5-4-6-10(3)7-8-11/h9-10H,4-8H2,1-3H3.
What are the key properties of 1-fluoro-3,7-dimethyloctane?
1-fluoro-3,7-dimethyloctane has a molecular weight of 160.28 g/mol, XLogP of 3.81, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-3,7-dimethyloctane is sourced from PubChem (CID 12030550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).