1,1-difluoro-3-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]propan-2-ol

C14H27F2NO — CID 103731519

IUPAC1,1-difluoro-3-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]propan-2-ol
SMILESCCC(C)(C)C1CCC(NCC(O)C(F)F)CC1
InChIInChI=1S/C14H27F2NO/c1-4-14(2,3)10-5-7-11(8-6-10)17-9-12(18)13(15)16/h10-13,17-18H,4-9H2,1-3H3
InChIKeySIJGFGSGWNSQJK-UHFFFAOYSA-N
MW263.37 g/mol
LogP3.20
Rot. Bonds6

About 1,1-difluoro-3-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]propan-2-ol

1,1-difluoro-3-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]propan-2-ol (PubChem CID 103731519) has the molecular formula C14H27F2NO and a molecular weight of 263.37 g/mol. Its IUPAC name is 1,1-difluoro-3-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]propan-2-ol.

Molecular Properties

Compound Name1,1-difluoro-3-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]propan-2-ol
PubChem CID103731519
Molecular FormulaC14H27F2NO
Molecular Weight263.37 g/mol
Exact Mass263.21
IUPAC Name1,1-difluoro-3-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]propan-2-ol
SMILESCCC(C)(C)C1CCC(NCC(O)C(F)F)CC1
InChIInChI=1S/C14H27F2NO/c1-4-14(2,3)10-5-7-11(8-6-10)17-9-12(18)13(15)16/h10-13,17-18H,4-9H2,1-3H3
InChIKeySIJGFGSGWNSQJK-UHFFFAOYSA-N
XLogP3.20
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-3-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]propan-2-ol?
The IUPAC name of 1,1-difluoro-3-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]propan-2-ol (CID 103731519) is 1,1-difluoro-3-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]propan-2-ol.
What is the SMILES notation for 1,1-difluoro-3-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]propan-2-ol?
The canonical SMILES for 1,1-difluoro-3-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]propan-2-ol is CCC(C)(C)C1CCC(NCC(O)C(F)F)CC1.
What is the InChIKey of 1,1-difluoro-3-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]propan-2-ol?
The InChIKey is SIJGFGSGWNSQJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27F2NO/c1-4-14(2,3)10-5-7-11(8-6-10)17-9-12(18)13(15)16/h10-13,17-18H,4-9H2,1-3H3.
What are the key properties of 1,1-difluoro-3-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]propan-2-ol?
1,1-difluoro-3-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]propan-2-ol has a molecular weight of 263.37 g/mol, XLogP of 3.20, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-3-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]propan-2-ol is sourced from PubChem (CID 103731519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).