1-[(1,1-difluoropropan-2-ylamino)methyl]cycloheptan-1-ol

C11H21F2NO — CID 102869662

IUPAC1-[(1,1-difluoropropan-2-ylamino)methyl]cycloheptan-1-ol
SMILESCC(NCC1(O)CCCCCC1)C(F)F
InChIInChI=1S/C11H21F2NO/c1-9(10(12)13)14-8-11(15)6-4-2-3-5-7-11/h9-10,14-15H,2-8H2,1H3
InChIKeyCKXIHAKAMDWMIN-UHFFFAOYSA-N
MW221.29 g/mol
LogP2.31
Rot. Bonds4

About 1-[(1,1-difluoropropan-2-ylamino)methyl]cycloheptan-1-ol

1-[(1,1-difluoropropan-2-ylamino)methyl]cycloheptan-1-ol (PubChem CID 102869662) has the molecular formula C11H21F2NO and a molecular weight of 221.29 g/mol. Its IUPAC name is 1-[(1,1-difluoropropan-2-ylamino)methyl]cycloheptan-1-ol.

Molecular Properties

Compound Name1-[(1,1-difluoropropan-2-ylamino)methyl]cycloheptan-1-ol
PubChem CID102869662
Molecular FormulaC11H21F2NO
Molecular Weight221.29 g/mol
Exact Mass221.16
IUPAC Name1-[(1,1-difluoropropan-2-ylamino)methyl]cycloheptan-1-ol
SMILESCC(NCC1(O)CCCCCC1)C(F)F
InChIInChI=1S/C11H21F2NO/c1-9(10(12)13)14-8-11(15)6-4-2-3-5-7-11/h9-10,14-15H,2-8H2,1H3
InChIKeyCKXIHAKAMDWMIN-UHFFFAOYSA-N
XLogP2.31
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.29
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(1,1-difluoropropan-2-ylamino)methyl]cycloheptan-1-ol?
The IUPAC name of 1-[(1,1-difluoropropan-2-ylamino)methyl]cycloheptan-1-ol (CID 102869662) is 1-[(1,1-difluoropropan-2-ylamino)methyl]cycloheptan-1-ol.
What is the SMILES notation for 1-[(1,1-difluoropropan-2-ylamino)methyl]cycloheptan-1-ol?
The canonical SMILES for 1-[(1,1-difluoropropan-2-ylamino)methyl]cycloheptan-1-ol is CC(NCC1(O)CCCCCC1)C(F)F.
What is the InChIKey of 1-[(1,1-difluoropropan-2-ylamino)methyl]cycloheptan-1-ol?
The InChIKey is CKXIHAKAMDWMIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F2NO/c1-9(10(12)13)14-8-11(15)6-4-2-3-5-7-11/h9-10,14-15H,2-8H2,1H3.
What are the key properties of 1-[(1,1-difluoropropan-2-ylamino)methyl]cycloheptan-1-ol?
1-[(1,1-difluoropropan-2-ylamino)methyl]cycloheptan-1-ol has a molecular weight of 221.29 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1,1-difluoropropan-2-ylamino)methyl]cycloheptan-1-ol is sourced from PubChem (CID 102869662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).