[4-(2-fluoropropan-2-yl)thian-4-yl]methanol

C9H17FOS — CID 84772488

IUPAC[4-(2-fluoropropan-2-yl)thian-4-yl]methanol
SMILESCC(C)(F)C1(CO)CCSCC1
InChIInChI=1S/C9H17FOS/c1-8(2,10)9(7-11)3-5-12-6-4-9/h11H,3-7H2,1-2H3
InChIKeyPXQQOCLQOWVGKZ-UHFFFAOYSA-N
MW192.30 g/mol
LogP2.24
Rot. Bonds2

About [4-(2-fluoropropan-2-yl)thian-4-yl]methanol

[4-(2-fluoropropan-2-yl)thian-4-yl]methanol (PubChem CID 84772488) has the molecular formula C9H17FOS and a molecular weight of 192.30 g/mol. Its IUPAC name is [4-(2-fluoropropan-2-yl)thian-4-yl]methanol.

Molecular Properties

Compound Name[4-(2-fluoropropan-2-yl)thian-4-yl]methanol
PubChem CID84772488
Molecular FormulaC9H17FOS
Molecular Weight192.30 g/mol
Exact Mass192.10
IUPAC Name[4-(2-fluoropropan-2-yl)thian-4-yl]methanol
SMILESCC(C)(F)C1(CO)CCSCC1
InChIInChI=1S/C9H17FOS/c1-8(2,10)9(7-11)3-5-12-6-4-9/h11H,3-7H2,1-2H3
InChIKeyPXQQOCLQOWVGKZ-UHFFFAOYSA-N
XLogP2.24
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.30
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(Fluoromethyl)thian-4-yl]methanol
CID 84764831
[4-(1,1-Difluoroethyl)thian-4-yl]methanol
CID 84774021
[4-(2-Fluoroethyl)thian-3-yl]methanol
CID 115015266
[3-(2-Fluoropropyl)thian-4-yl]methanol
CID 115019223
[4-(2-Fluoropropyl)thian-3-yl]methanol
CID 115019224
3,3-Dimethyl-2-[2-(trifluoromethylsulfanyl)ethyl]butan-1-ol
CID 116627912
2,3-Dimethyl-2-[2-(trifluoromethylsulfanyl)ethyl]butan-1-ol
CID 116627914
(4-Methyltetrahydro-2H-thiopyran-4-yl)methanol
CID 57911526
3,3-Dimethyl-2-(2-methylsulfanylethyl)butan-1-ol
CID 58361149
2-(Thian-4-yl)propan-1-ol
CID 84064608
(2R)-3,3-dimethyl-2-(2-methylsulfanylethyl)butan-1-ol
CID 89006071
2,2-Diethyl-4-ethylsulfanylbutan-1-ol
CID 116107676

Frequently Asked Questions

What is the IUPAC name of [4-(2-fluoropropan-2-yl)thian-4-yl]methanol?
The IUPAC name of [4-(2-fluoropropan-2-yl)thian-4-yl]methanol (CID 84772488) is [4-(2-fluoropropan-2-yl)thian-4-yl]methanol.
What is the SMILES notation for [4-(2-fluoropropan-2-yl)thian-4-yl]methanol?
The canonical SMILES for [4-(2-fluoropropan-2-yl)thian-4-yl]methanol is CC(C)(F)C1(CO)CCSCC1.
What is the InChIKey of [4-(2-fluoropropan-2-yl)thian-4-yl]methanol?
The InChIKey is PXQQOCLQOWVGKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17FOS/c1-8(2,10)9(7-11)3-5-12-6-4-9/h11H,3-7H2,1-2H3.
What are the key properties of [4-(2-fluoropropan-2-yl)thian-4-yl]methanol?
[4-(2-fluoropropan-2-yl)thian-4-yl]methanol has a molecular weight of 192.30 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-fluoropropan-2-yl)thian-4-yl]methanol is sourced from PubChem (CID 84772488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).