N-tert-butyl-3,3-difluoro-5-propan-2-yloxypentan-1-amine

C12H25F2NO — CID 146607019

IUPACN-tert-butyl-3,3-difluoro-5-propan-2-yloxypentan-1-amine
SMILESCC(C)OCCC(F)(F)CCNC(C)(C)C
InChIInChI=1S/C12H25F2NO/c1-10(2)16-9-7-12(13,14)6-8-15-11(3,4)5/h10,15H,6-9H2,1-5H3
InChIKeyFUIZQKGCCUOJJX-UHFFFAOYSA-N
MW237.33 g/mol
LogP3.21
Rot. Bonds7

About N-tert-butyl-3,3-difluoro-5-propan-2-yloxypentan-1-amine

N-tert-butyl-3,3-difluoro-5-propan-2-yloxypentan-1-amine (PubChem CID 146607019) has the molecular formula C12H25F2NO and a molecular weight of 237.33 g/mol. Its IUPAC name is N-tert-butyl-3,3-difluoro-5-propan-2-yloxypentan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-3,3-difluoro-5-propan-2-yloxypentan-1-amine
PubChem CID146607019
Molecular FormulaC12H25F2NO
Molecular Weight237.33 g/mol
Exact Mass237.19
IUPAC NameN-tert-butyl-3,3-difluoro-5-propan-2-yloxypentan-1-amine
SMILESCC(C)OCCC(F)(F)CCNC(C)(C)C
InChIInChI=1S/C12H25F2NO/c1-10(2)16-9-7-12(13,14)6-8-15-11(3,4)5/h10,15H,6-9H2,1-5H3
InChIKeyFUIZQKGCCUOJJX-UHFFFAOYSA-N
XLogP3.21
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.33
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3,3-difluoro-5-propan-2-yloxypentan-1-amine?
The IUPAC name of N-tert-butyl-3,3-difluoro-5-propan-2-yloxypentan-1-amine (CID 146607019) is N-tert-butyl-3,3-difluoro-5-propan-2-yloxypentan-1-amine.
What is the SMILES notation for N-tert-butyl-3,3-difluoro-5-propan-2-yloxypentan-1-amine?
The canonical SMILES for N-tert-butyl-3,3-difluoro-5-propan-2-yloxypentan-1-amine is CC(C)OCCC(F)(F)CCNC(C)(C)C.
What is the InChIKey of N-tert-butyl-3,3-difluoro-5-propan-2-yloxypentan-1-amine?
The InChIKey is FUIZQKGCCUOJJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25F2NO/c1-10(2)16-9-7-12(13,14)6-8-15-11(3,4)5/h10,15H,6-9H2,1-5H3.
What are the key properties of N-tert-butyl-3,3-difluoro-5-propan-2-yloxypentan-1-amine?
N-tert-butyl-3,3-difluoro-5-propan-2-yloxypentan-1-amine has a molecular weight of 237.33 g/mol, XLogP of 3.21, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3,3-difluoro-5-propan-2-yloxypentan-1-amine is sourced from PubChem (CID 146607019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).